Information card for entry 1555913

Structure parameters

• Formula: C34 H40 N2 Si2
• Calculated formula: C34 H40 N2 Si2
• SMILES: c1(c2n3c(cc2c(c2n4ccccc4cc12)C#C[Si](CC)(CC)CC)cccc3)C#C[Si](CC)(CC)CC
• Title of publication: Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.
• Authors of publication: Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6050 - 6053
• a: 6.5947 ± 0.0008 Å
• b: 32.761 ± 0.003 Å
• c: 7.661 ± 0.0012 Å
• α: 90°
• β: 113.1 ± 0.008°
• γ: 90°
• Cell volume: 1522.4 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.2861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No